Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9670280 | 0.88 | AAK1 (0.52) | CTSSCTSKCA2AAK1POLB | |
| SCHEMBL4080775 | 0.87 | AAK1 (0.51) | CTSSCTSKCA2AAK1POLB | |
| SCHEMBL24420459 | 0.85 | CTSS (0.54) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL24420346 | 0.85 | CTSS (0.54) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL24420430 | 0.85 | CTSS (0.54) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL29526431 | 0.85 | CTSS (0.54) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL29526605 | 0.85 | CTSS (0.54) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL24420344 | 0.84 | CTSS (0.53) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL29526580 | 0.84 | CTSS (0.53) | CTSSCTSKCA2KDM4EALDH1A1 | |
| SCHEMBL9286086 | 0.83 | AAK1 (0.51) | CTSSCTSKAAK1KDM4EALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0222283-B1 | AMINO-ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-4721776-A | Amino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-01-26 | — | — | US | disclosed |
| EP-0222283-A2 | Amino-acid derivatives | MERCK PATENT GmbH (DE) | 1987-05-20 | — | — | EP | disclosed |